butan-2-yl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: butan-2-yl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: sec-butyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid sec-butyl ester Formula: C13H17NO6S2 MolecularWeight: 347.40718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)OC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO6S2/c1-4-9(2)20-13(15)8-21-12-6-5-10(22(3,18)19)7-11(12)14(16)17/h5-7,9H,4,8H2,1-3H3